1-(2-methylbutyl)isoquinoline;hydroiodide

C14H18IN — CID 173406733

IUPAC1-(2-methylbutyl)isoquinoline;hydroiodide
SMILESCCC(C)Cc1nccc2ccccc12.I
InChIInChI=1S/C14H17N.HI/c1-3-11(2)10-14-13-7-5-4-6-12(13)8-9-15-14;/h4-9,11H,3,10H2,1-2H3;1H
InChIKeyZHUFPEMADHZSGK-UHFFFAOYSA-N
MW327.21 g/mol
LogP4.44
Rot. Bonds3

About 1-(2-methylbutyl)isoquinoline;hydroiodide

1-(2-methylbutyl)isoquinoline;hydroiodide (PubChem CID 173406733) has the molecular formula C14H18IN and a molecular weight of 327.21 g/mol. Its IUPAC name is 1-(2-methylbutyl)isoquinoline;hydroiodide.

Molecular Properties

Compound Name1-(2-methylbutyl)isoquinoline;hydroiodide
PubChem CID173406733
Molecular FormulaC14H18IN
Molecular Weight327.21 g/mol
Exact Mass327.05
IUPAC Name1-(2-methylbutyl)isoquinoline;hydroiodide
SMILESCCC(C)Cc1nccc2ccccc12.I
InChIInChI=1S/C14H17N.HI/c1-3-11(2)10-14-13-7-5-4-6-12(13)8-9-15-14;/h4-9,11H,3,10H2,1-2H3;1H
InChIKeyZHUFPEMADHZSGK-UHFFFAOYSA-N
XLogP4.44
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.21
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

1-dodecylisoquinoline;hydroiodide
CID 173144441
N,N-bis(isoquinolin-1-ylmethyl)propan-2-amine
CID 59404292
ethane;isoquinolin-1-ylmethanamine
CID 145267324
1-(2-chloroethyl)isoquinoline
CID 67627404
1-[(4-ethylphenyl)methyl]isoquinoline
CID 59715703
1-[[2-(isoquinolin-1-ylmethyl)phenyl]methyl]isoquinoline
CID 23631798
1-(isoquinolin-1-ylmethyl)-2-methyl-3-(3-methylbutan-2-yl)guanidine;hydroiodide
CID 111001124
propan-2-yl 2-(isoquinolin-1-ylmethyl)-3-oxo-3-phenylpropanoate
CID 11727734
4-butan-2-yl-N-(isoquinolin-1-ylmethyl)benzenesulfonamide
CID 17428017
4-isoquinolin-1-ylbutan-1-amine
CID 57124136
1-[(2-ethylphenyl)methyl]-3-(isoquinolin-1-ylmethyl)-2-methylguanidine
CID 111635770
1-benzyl-3-(isoquinolin-1-ylmethyl)-2-methylguanidine;hydroiodide
CID 75532621

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylbutyl)isoquinoline;hydroiodide?
The IUPAC name of 1-(2-methylbutyl)isoquinoline;hydroiodide (CID 173406733) is 1-(2-methylbutyl)isoquinoline;hydroiodide.
What is the SMILES notation for 1-(2-methylbutyl)isoquinoline;hydroiodide?
The canonical SMILES for 1-(2-methylbutyl)isoquinoline;hydroiodide is CCC(C)Cc1nccc2ccccc12.I.
What is the InChIKey of 1-(2-methylbutyl)isoquinoline;hydroiodide?
The InChIKey is ZHUFPEMADHZSGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N.HI/c1-3-11(2)10-14-13-7-5-4-6-12(13)8-9-15-14;/h4-9,11H,3,10H2,1-2H3;1H.
What are the key properties of 1-(2-methylbutyl)isoquinoline;hydroiodide?
1-(2-methylbutyl)isoquinoline;hydroiodide has a molecular weight of 327.21 g/mol, XLogP of 4.44, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylbutyl)isoquinoline;hydroiodide is sourced from PubChem (CID 173406733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).